N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine

C14H22N2 — CID 83706075

IUPACN-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCNCC2)cc1C
InChIInChI=1S/C14H22N2/c1-11-3-4-13(9-12(11)2)10-16-14-5-7-15-8-6-14/h3-4,9,14-16H,5-8,10H2,1-2H3
InChIKeyPFAXDISYISYKBU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.15
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine

N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine (PubChem CID 83706075) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
PubChem CID83706075
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCNCC2)cc1C
InChIInChI=1S/C14H22N2/c1-11-3-4-13(9-12(11)2)10-16-14-5-7-15-8-6-14/h3-4,9,14-16H,5-8,10H2,1-2H3
InChIKeyPFAXDISYISYKBU-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56714946
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine (CID 83706075) is N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine is Cc1ccc(CNC2CCNCC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine?
The InChIKey is PFAXDISYISYKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-3-4-13(9-12(11)2)10-16-14-5-7-15-8-6-14/h3-4,9,14-16H,5-8,10H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine?
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine has a molecular weight of 218.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 83706075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).